Compound Detail
CHEMBL4863466
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Basic Information
| ChEMBL ID | CHEMBL4863466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGSKTSHAXSPBHX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.7
MW (Da)
2.09
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
EC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tripartite terminase subunit 3 CHEMBL4879551 | IC50 | 5.46 | 5.4067 | 3500.0 | 3 |
| Cytomegalovirus CHEMBL613134 | EC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tripartite terminase subunit 3 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDN... | 34147908 |
| Tripartite terminase subunit 3 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Ros... | 35377638 |
| Tripartite terminase subunit 3 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of human cytomegalovirus pUL89-C using Digoxigenin-labeled 5'-taatcgc... | 35377638 |
| Cytomegalovirus | EC50 | = | 4900.0 | nM | 5.31 | Antiviral activity against human cytomegalovirus expressing ADCREGFP infected in... | 35377638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34147908 | 10.1016/j.ejmech.2021.113640 | Tripartite terminase subunit 3 | 2 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Tripartite terminase subunit 3 | 2 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | Cytomegalovirus | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | HFF | 1 |
| 35377638 | 10.1021/acs.jmedchem.2c00203 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine